(E)-but-2-enedioic acid;N-(1-piperidin-1-ylpropan-2-yl)-N-pyridin-2-ylpropanamide

C20H29N3O5 — CID 6433584

IUPAC(E)-but-2-enedioic acid;N-(1-piperidin-1-ylpropan-2-yl)-N-pyridin-2-ylpropanamide
SMILESCCC(=O)N(c1ccccn1)C(C)CN1CCCCC1.O=C(O)/C=C/C(=O)O
InChIInChI=1S/C16H25N3O.C4H4O4/c1-3-16(20)19(15-9-5-6-10-17-15)14(2)13-18-11-7-4-8-12-18;5-3(6)1-2-4(7)8/h5-6,9-10,14H,3-4,7-8,11-13H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+
InChIKeyWQTLOZFMTGYQDX-WLHGVMLRSA-N
MW391.47 g/mol
LogP2.41
Rot. Bonds7

About (E)-but-2-enedioic acid;N-(1-piperidin-1-ylpropan-2-yl)-N-pyridin-2-ylpropanamide

(E)-but-2-enedioic acid;N-(1-piperidin-1-ylpropan-2-yl)-N-pyridin-2-ylpropanamide (PubChem CID 6433584) has the molecular formula C20H29N3O5 and a molecular weight of 391.47 g/mol. Its IUPAC name is (E)-but-2-enedioic acid;N-(1-piperidin-1-ylpropan-2-yl)-N-pyridin-2-ylpropanamide.

Molecular Properties

Compound Name(E)-but-2-enedioic acid;N-(1-piperidin-1-ylpropan-2-yl)-N-pyridin-2-ylpropanamide
PubChem CID6433584
Molecular FormulaC20H29N3O5
Molecular Weight391.47 g/mol
Exact Mass391.21
IUPAC Name(E)-but-2-enedioic acid;N-(1-piperidin-1-ylpropan-2-yl)-N-pyridin-2-ylpropanamide
SMILESCCC(=O)N(c1ccccn1)C(C)CN1CCCCC1.O=C(O)/C=C/C(=O)O
InChIInChI=1S/C16H25N3O.C4H4O4/c1-3-16(20)19(15-9-5-6-10-17-15)14(2)13-18-11-7-4-8-12-18;5-3(6)1-2-4(7)8/h5-6,9-10,14H,3-4,7-8,11-13H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+
InChIKeyWQTLOZFMTGYQDX-WLHGVMLRSA-N
XLogP2.41
TPSA111.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-but-2-enedioic acid;N-(1-piperidin-1-ylpropan-2-yl)-N-pyridin-2-ylpropanamide?
The IUPAC name of (E)-but-2-enedioic acid;N-(1-piperidin-1-ylpropan-2-yl)-N-pyridin-2-ylpropanamide (CID 6433584) is (E)-but-2-enedioic acid;N-(1-piperidin-1-ylpropan-2-yl)-N-pyridin-2-ylpropanamide.
What is the SMILES notation for (E)-but-2-enedioic acid;N-(1-piperidin-1-ylpropan-2-yl)-N-pyridin-2-ylpropanamide?
The canonical SMILES for (E)-but-2-enedioic acid;N-(1-piperidin-1-ylpropan-2-yl)-N-pyridin-2-ylpropanamide is CCC(=O)N(c1ccccn1)C(C)CN1CCCCC1.O=C(O)/C=C/C(=O)O.
What is the InChIKey of (E)-but-2-enedioic acid;N-(1-piperidin-1-ylpropan-2-yl)-N-pyridin-2-ylpropanamide?
The InChIKey is WQTLOZFMTGYQDX-WLHGVMLRSA-N. The full InChI is InChI=1S/C16H25N3O.C4H4O4/c1-3-16(20)19(15-9-5-6-10-17-15)14(2)13-18-11-7-4-8-12-18;5-3(6)1-2-4(7)8/h5-6,9-10,14H,3-4,7-8,11-13H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+.
What are the key properties of (E)-but-2-enedioic acid;N-(1-piperidin-1-ylpropan-2-yl)-N-pyridin-2-ylpropanamide?
(E)-but-2-enedioic acid;N-(1-piperidin-1-ylpropan-2-yl)-N-pyridin-2-ylpropanamide has a molecular weight of 391.47 g/mol, XLogP of 2.41, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-but-2-enedioic acid;N-(1-piperidin-1-ylpropan-2-yl)-N-pyridin-2-ylpropanamide is sourced from PubChem (CID 6433584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).